Exact Mass: 120.0375

Exact Mass Matches: 120.0375

Found 413 metabolites which its exact mass value is equals to given mass value 120.0375, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Acetophenone

Acetophenone, TraceCERT(R), certified reference material

C8H8O (120.0575)


Acetophenone appears as a colorless liquid with a sweet pungent taste and odor resembling the odor of oranges. Freezes under cool conditions. Slightly soluble in water and denser than water. Hence sinks in water. Vapor heavier than air. A mild irritant to skin and eyes. Vapors can be narcotic in high concentrations. Used as a flavoring, solvent, and polymerization catalyst. Acetophenone is a methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. It has a role as a photosensitizing agent, an animal metabolite and a xenobiotic. Acetophenone is used for fragrance in soaps and perfumes, as a flavoring agent in foods, and as a solvent for plastics and resins. Acute (short-term) exposure to acetophenone vapor may produce skin irritation and transient corneal injury in humans. No information is available on the chronic (long-term), reproductive, developmental, or carcinogenic effects of acetophenone in humans. EPA has classified acetophenone as a Group D, not classifiable as to human carcinogenicity. Acetophenone is a natural product found in Nepeta nepetella, Hypericum hyssopifolium, and other organisms with data available. Acetophenone is a metabolite found in or produced by Saccharomyces cerevisiae. Acetophenone is the organic compound with the formula C6H5C(O)CH3. It is the simplest aromatic ketone. This colourless, viscous liquid is a precursor to useful resins and fragrances. Acetophenone is found in chicory. Acetophenone is a flavouring ingredient used in fruit flavours. Acetophenone is a raw material for the synthesis of some pharmaceuticals and is also listed as an approved excipient by the U.S. FDA. In a 1994 report released by five top cigarette companies in the U.S., acetophenone was listed as one of the 599 additives to cigarettes. A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents Flavouring ingredient used in fruit flavours; leavening agent D003879 - Dermatologic Agents Acetophenone is an organic compound with simple structure[1]. Acetophenone is an organic compound with simple structure[1].

   

3-Methylbenzaldehyde

3-methylbenzaldehyde;3-Methylbenzaldehyde, stab. with 0.1\\% hydroquinone

C8H8O (120.0575)


3-Methylbenzaldehyde, also known as 3-tolylaldehyde, belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). 3-Methylbenzaldehyde exists in all living organisms, ranging from bacteria to humans. 3-Methylbenzaldehyde is a sweet, benzaldehyde, and cherry tasting compound. 3-Methylbenzaldehyde has been detected, but not quantified, in several different foods, such as sweet cherries, alcoholic beverages, garden tomato, coffee and coffee products, and tea. This could make 3-methylbenzaldehyde a potential biomarker for the consumption of these foods. A tolualdehyde compound with the methyl substituent at the 3-position. M-tolualdehyde is a tolualdehyde compound with the methyl substituent at the 3-position. It has a role as a plant metabolite. 3-Methylbenzaldehyde is a natural product found in Aloe africana, Cichorium endivia, and other organisms with data available. Flavouring ingredient. Component of FEMA 3068; see further under 4-Methylbenzaldehyde BHW21-S. 3-Methylbenzaldehyde is found in many foods, some of which are coffee and coffee products, nuts, tea, and garden tomato. A tolualdehyde compound with the methyl substituent at the 3-position. m-Tolualdehyde (3-Methylbenzaldehyde) is a tolualdehyde compound with the methyl substituent at the 3-position. m-Tolualdehyde can be used as a food additive. m-Tolualdehyde (3-Methylbenzaldehyde) is a tolualdehyde compound with the methyl substituent at the 3-position. m-Tolualdehyde can be used as a food additive.

   

4-Vinylphenol

4-ethenylphenol

C8H8O (120.0575)


4-hydroxystyrene is a member of the class of phenols that is styrene carrying a hydroxy substituent at position 4. It has a role as a human urinary metabolite and a human xenobiotic metabolite. It derives from a hydride of a styrene. 4-Vinylphenol is a natural product found in Streptomyces, Cedronella canariensis, and other organisms with data available. 4-Vinylphenol is a metabolite found in or produced by Saccharomyces cerevisiae. 4-hydroxystyrene occurs frequently in different ciders, wines, foods and berries, e.g. cloudberry. Styrene is a prohapten metabolized in the skin by aryl hydrocarbon hydroxylase (AHH, EC 1.14.14.1) to styrene epoxide acting as the true hapten. Styrene occurs in nature and as a synthetic product.(PMID: 6713846). Flavour component of tea; flavouring ingredient

   

Purine

{7h-imidazo[4,} 5-D]pyrimidine

C5H4N4 (120.0436)


Purine, also known as purine base or 1H-purine, belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring. Two of the bases in nucleic acids, adenine and guanine, are purines. Purines from food (or from tissue turnover) are metabolised by several enzymes, including xanthine oxidase, into uric acid. Purine exists in all living species, ranging from bacteria to humans. High levels of uric acid can predispose to gout when the acid crystalises in joints; this phenomenon only happens in humans and some animal species (e.g. dogs) that lack an intrinsic uricase enzyme that can further degrade uric acid. In humans, purine is involved in thioguanine action pathway. Outside of the human body, purine is found, on average, in the highest concentration within cocoa beans. Purine has also been detected, but not quantified in several different foods, such as rapinis, plains prickly pears, blackcurrants, radish, and parsley. This could make purine a potential biomarker for the consumption of these foods. Purine is a heterocyclic aromatic organic compound, consisting of a pyrimidine ring fused to an imidazole ring. A purine is a heterocyclic aromatic organic compound, consisting of a pyrimidine ring fused to an imidazole ring. Purines, including substituted purines and their tautomers, are the most widely distributed kind of nitrogen-containing heterocycle in nature. Purine is found in many foods, some of which are triticale, chickpea, japanese persimmon, and wild carrot. KEIO_ID P049 Purine is an endogenous metabolite. Purine is an endogenous metabolite.

   

Phenylacetaldehyde

alpha-Phenylacetaldehyde

C8H8O (120.0575)


Phenylacetaldehyde is one important oxidation-related aldehyde. Exposure to styrene gives phenylacetaldehyde as a secondary metabolite. Styrene has been implicated as reproductive toxicant, neurotoxicant, or carcinogen in vivo or in vitro. Phenylacetaldehyde could be formed by diverse thermal reactions during the cooking process together with C8 compounds is identified as a major aroma- active compound in cooked pine mushroom. Phenylacetaldehyde is readily oxidized to phenylacetic acid. Therefore will eventually be hydrolyzed and oxidized to yield phenylacetic acid that will be excreted primarily in the urine in conjugated form. (PMID: 16910727, 7818768, 15606130). Found in some essential oils, e.g. Citrus subspecies, Tagetes minuta (Mexican marigold) and in the mushroom Phallus impudicus (common stinkhorn). Flavouring ingredient COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Benzamidine

Benzamidine hydrochloride hydrate

C7H8N2 (120.0687)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE standard compound; INTERNAL_ID 2169 KEIO_ID B004

   

Tartronate (hydroxymalonate)

Propanedioic acid, hydroxy- (9ci)

C3H4O5 (120.0059)


Hydroxypropanedioic acid is found in potato. Tartronic acid or 2-hydroxymalonic acid is a dicarboxylic acid with the structural formula of HOOCCH(OH)COOH. (Wikipedia). Hydroxypropanedioic acid has been identified in the human placenta (PMID: 32033212). Tartronic acid or 2-hydroxymalonic acid is a dicarboxylic acid with the structural formula of HOOCCH(OH)COOH. Hydroxypropanedioic acid is found in potato. KEIO_ID T050

   

Erythrose

(R*,r*)-2,3,4-trihydroxybutanal

C4H8O4 (120.0423)


Erythrose is a tetrose saccharide with the chemical formula C4H8O4. It has one aldehyde group, and is thus part of the aldose family. The natural isomer is D-erythrose. It is a member of the class of compounds known as pentoses. Pentoses are monosaccharides in which the carbohydrate moiety contains five carbon atoms. Erythrose is very soluble (in water). Erythrose can be found in blood, as well as in human cartilage tissue. Within the cell, erythrose is primarily located in the cytoplasm (predicted from logP). Erythrose exists in all living organisms, ranging from bacteria to humans. Erythrose is found to be associated with schizophrenia. Erythrose was first isolated in 1849 from rhubarb by the French pharmacist Louis Feux Joseph Garot (1798-1869) and was named as such because of its red hue in the presence of alkali metals. D-erythrose is a tetrose carbohydrate with chemical formula C4H8O4. It has one aldehyde group and so is part of the aldose family. It is a syrupy liquid at room temperature. [HMDB] Acquisition and generation of the data is financially supported in part by CREST/JST.

   

3-Mercaptopyruvic acid

beta-3-Mercapto-2-oxo-propanoic acid

C3H4O3S (119.9881)


3-Mercaptopyruvic acid, also known as 3-mercapto-2-oxopropanoate or beta-thiopyruvate, belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. 3-Mercaptopyruvic acid is an intermediate in cysteine metabolism. 3-Mercaptopyruvic acid exists in all living organisms, ranging from bacteria to humans. Within humans, 3-mercaptopyruvic acid participates in a number of enzymatic reactions. In particular, 3-mercaptopyruvic acid and cyanide can be converted into pyruvic acid and thiocyanate; which is mediated by the enzyme 3-mercaptopyruvate sulfurtransferase. In addition, 3-mercaptopyruvic acid can be biosynthesized from 3-mercaptolactic acid; which is mediated by the enzyme L-lactate dehydrogenase. It has been studied as a potential treatment for cyanide poisoning, but its half-life is too short for it to be clinically effective. In humans, 3-mercaptopyruvic acid is involved in cystinosis, ocular nonnephropathic. Outside of the human body, 3-mercaptopyruvic acid has been detected, but not quantified in several different foods, such as lima beans, spinachs, shallots, mexican groundcherries, and white lupines. This could make 3-mercaptopyruvic acid a potential biomarker for the consumption of these foods. 3-mercaptopyruvic acid, also known as beta-mercaptopyruvate or beta-thiopyruvic acid, belongs to alpha-keto acids and derivatives class of compounds. Those are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. 3-mercaptopyruvic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 3-mercaptopyruvic acid can be found in a number of food items such as garland chrysanthemum, rubus (blackberry, raspberry), tarragon, and arrowhead, which makes 3-mercaptopyruvic acid a potential biomarker for the consumption of these food products. 3-mercaptopyruvic acid exists in all living organisms, ranging from bacteria to humans. In humans, 3-mercaptopyruvic acid is involved in a couple of metabolic pathways, which include cysteine metabolism and cystinosis, ocular nonnephropathic. 3-mercaptopyruvic acid is also involved in beta-mercaptolactate-cysteine disulfiduria, which is a metabolic disorder. 3-Mercaptopyruvic acid is an intermediate in cysteine metabolism. It has been studied as a potential treatment for cyanide poisoning, but its half-life is too short for it to be clinically effective. Instead, prodrugs, such as sulfanegen, are being evaluated to compensate for the short half-life of 3-mercaptopyruvic acid .

   

1,4-Dithiane

Tetrahydro-1,4-dithiin

C4H8S2 (120.0067)


1,4-Dithiane, also known as p-dithiane or fema 3831, belongs to the class of organic compounds known as dithianes. Dithianes are compounds containing a dithiane moiety, which is composed of a cyclohexane core structure wherein two methylene units are replaced by sulfur centres. A dithiane that is cyclohexane in which the -CH2- units at positions 1 and 2 have been replaced by sulfur atoms. 1,4-Dithiane is possibly neutral. 1,4-Dithiane is a fishy, garlic, and onion tasting compound. 1,4-Dithiane has been detected, but not quantified, in garden tomato. This could make 1,4-dithiane a potential biomarker for the consumption of these foods. Food additive listed in the EAFUS food additive database (Jan. 2001). Flavouring used in seasonings. 1,4-Dithiane is found in garden tomato.

   

L-Erythrulose

(3S)-1,3,4-Trihydroxybutan-2-one

C4H8O4 (120.0423)


L-Erythrulose is an extremely reactive ketose, which rapidly glycates and crosslinks proteins, and therefore may mediate the(L-ascorbate) AsA-dependent modification of protein (ascorbylation) seen in vitro, and also proposed to occur in vivo in human lens during diabetic and age-onset cataract formation.(PMID: 10727845) [HMDB] L-Erythrulose is an extremely reactive ketose, which rapidly glycates and crosslinks proteins, and therefore may mediate the(L-ascorbate) AsA-dependent modification of protein (ascorbylation) seen in vitro, and also proposed to occur in vivo in human lens during diabetic and age-onset cataract formation.(PMID: 10727845).

   

Styrene Oxide

Styrene oxide, (+-)-isomer

C8H8O (120.0575)


Styrene Oxide, also known as Epoxystyrene or Phenyloxirane, is classified as a benzene or a Benzene derivative. Benzenes are aromatic compounds containing one monocyclic ring system consisting of benzene. Styrene Oxide is considered to be slightly soluble (in water) and basic D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens

   

4-Methylbenzaldehyde

Para-methylbenzaldehyde

C8H8O (120.0575)


4-Methylbenzaldehyde, also known as p-toluylaldehyde or p-formyltoluene, belongs to the class of organic compounds known as benzoyl derivatives. A tolualdehyde compound with the methyl substituent at the 4-position. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). 4-Methylbenzaldehyde is a cherry and fruity tasting compound. 4-Methylbenzaldehyde has been detected, but not quantified, in several different foods, such as caraway, sweet cherries, tea, nuts, and coffee and coffee products. Component of *FEMA 3068* together with the o- and m-isomers. Flavouring ingredient. Methylbenzaldehydes are present in roasted nuts, cooked beef, cider, tomato, coffee, tea and elderberry juice. 4-Methylbenzaldehyde is found in many foods, some of which are tea, caraway, nuts, and garden tomato. p-Tolualdehyde is an endogenous metabolite. p-Tolualdehyde is an endogenous metabolite.

   

2-Methylbenzaldehyde

2-Methyl-benzaldehyde

C8H8O (120.0575)


Component of FEMA 3068. Flavouring ingredient (see further under 4-Methylbenzaldehyde BHW21-S). 2-Methylbenzaldehyde is found in many foods, some of which are alcoholic beverages, soft-necked garlic, animal foods, and caraway. 2-Methylbenzaldehyde is found in alcoholic beverages. 2-Methylbenzaldehyde is a component of FEMA 3068. 2-Methylbenzaldehyde is a flavouring ingredient (see further under 4-Methylbenzaldehyde BHW21-S

   

3-Methylthiopropionic acid

3-Methylthiopropionate sodium salt

C4H8O2S (120.0245)


3-methylthiopropionate is one of the metabolites of methionine (especially of D-methionine) and pharmacokinetics of 3-MTP in urine seems to contribute to the clinicopathological investigation of the liver cirrhosis. (PMID 3997054) [HMDB] 3-methylthiopropionate is one of the metabolites of methionine (especially of D-methionine) and pharmacokinetics of 3-MTP in urine seems to contribute to the clinicopathological investigation of the liver cirrhosis. (PMID 3997054). 3-(Methylthio)propionic acid is an intermediate in the methionine metabolism.

   

Methyl 2-propenyl disulfide

3-(Methyldisulphanyl)-1-propene

C4H8S2 (120.0067)


Constituent of the essential oils of Allium subspecies Flavouring ingredient. Methyl 2-propenyl disulfide is found in many foods, some of which are garden onion, allium (onion), chives, and soft-necked garlic. Methyl 2-propenyl disulfide is found in allium (onion). Methyl 2-propenyl disulfide is a constituent of the essential oils of Allium species Methyl 2-propenyl disulfide is a flavouring ingredient.

   

4-Mercaptobutyric acid

4-Mercaptobutanoic acid

C4H8O2S (120.0245)


   

(S)-Styrene oxide

(S)-Styrene oxide

C8H8O (120.0575)


The (S)-enantiomer of styrene oxide.

   

D-Threose

(3S,4R)-oxolane-2,3,4-triol

C4H8O4 (120.0423)


Acquisition and generation of the data is financially supported in part by CREST/JST.

   

2,3-Dihydrobenzofuran

InChI=1/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H

C8H8O (120.0575)


2,3-dihydrobenzofuran is a member of the class of 1-benzofurans that is the 2,3-dihydroderivative of benzofuran. It has a role as a metabolite. 2,3-Dihydrobenzofuran is a natural product found in Phyla nodiflora, Vitis vinifera, and other organisms with data available. 2,3-dihydrobenzofuran, also known as coumaran, is a clear very slight yellow oily liquid. It is slightly soluble in water, and is formed by reducing coumarone of which it is the dihydride. A member of the class of 1-benzofurans that is the 2,3-dihydroderivative of benzofuran. Coumaran (2,3-Dihydrobenzofuran) is an acetylcholinesterase (AChE) inhibitor isolated from leaves of L. camara. Coumaran can be used as a biopesticide[1]. Coumaran (2,3-Dihydrobenzofuran) is an acetylcholinesterase (AChE) inhibitor isolated from leaves of L. camara. Coumaran can be used as a biopesticide[1].

   

2-Methyl-3-vinylpyrazine

2-Ethenyl-3-methylpyrazine, 9ci

C7H8N2 (120.0687)


2-Methyl-3-vinylpyrazine is a flavouring ingredient with a fresh, hazelnut, earthy note. Flavouring ingredient with a fresh, hazelnut, earthy note

   

1,3-Dithiane

1,3 Dithiocyclohexane

C4H8S2 (120.0067)


Constituent of garlic and other Allium subspecies 1,3-Dithiane is found in soft-necked garlic and onion-family vegetables. 1,3-Dithiane is found in onion-family vegetables. 1,3-Dithiane is a constituent of garlic and other Allium species 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2]. 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2].

   

3,4-dihydroxybutyrate

3,4-Dihydroxybutanoic acid, monosodium salt

C4H8O4 (120.0423)


3,4-Dihydroxybutyric acid (also known as 3,4-Dihydroxybutanoic acid or 3,4-DB, or 2-deoxytetronic acid, or 2-DTA) is a normal human urinary metabolite that is excreted in increased concentration in patients with succinic semialdehyde dehydrogenase (SSADH) deficiency (PMID 12127325), which is a genetic disorder. SSADH deficiency is caused by an enzyme deficiency in GABA degradation. The most constant features with this disease are developmental delay, hypotonia and intellectual disability. Nearly half of SSADH patients exhibit ataxia, behavioral problems, seizures, and hyporeflexia. Normal adults excrete 0.37 +/- 0.15 (SD) mmoles of 3,4-dihydroxybutyrate per 24 hr. 3,4-dihydroxybutyrate is also detectable in blood. The renal clearance of 3,4-dihydroxybutyrate is roughly equal that of creatinine. 3,4-dihydroxybutyric acid has also been found in foods and is believed to be formed via the degradation (cooking) of di- and poly-saccharides (PMID: 1167165). 3,4-Dihydroxybutyric acid is believed to play a role in satiety or the feeling of fullness and suppresses food intake (PMID: 3191387; PMID: 6720928). 3,4-dihydroxybutyric acid is also elevated in the serum of individuals with dementia and may even serve as a predictive biomarker for dementia (PMID: 25177334). 3,4-Dihydroxybutyric acid is also a metabolite produced in Escherichia (PMID: 28342964). 3,4-Dihydroxybutyric acid is a normal human urinary metabolite that is excreted in increased concentration in patients with succinic semialdehyde dehydrogenase (SSADH) deficiency. (PMID 12127325) Normal adults excrete 0.37 +/- 0.15 (SD) mmoles of 3,4-dihydroxybutyrate per 24 hr. The compound is also detectable in blood. The renal clearance of this compound is roughly equal that of creatinine. [HMDB]

   

xi-2-Mercapto-3-methyl-1-butanol

xi-2-Mercapto-3-methyl-1-butanol

C5H12OS (120.0609)


xi-2-Mercapto-3-methyl-1-butanol is found in alcoholic beverages. Substance found in beer causing unpleasant aftertaste. Substance found in beer causing unpleasant aftertaste

   

3-Mercapto-3-methyl-1-butanol

3-Methyl-3-sulfanylbutanol-1-ol

C5H12OS (120.0609)


3-Mercapto-3-methyl-1-butanol is found in alcoholic beverages. 3-Mercapto-3-methyl-1-butanol is found in coffee volatiles, white wine and passion fruit. 3-Mercapto-3-methyl-1-butanol is a flavouring agent for baked goods, meat products etc Found in coffee volatiles, white wine and passion fruit. Flavouring agent for baked goods, meat products etc.

   

(E)-Methyl 1-propenyl disulfide

(1Z)-1-(Methyldisulphanyl)prop-1-ene

C4H8S2 (120.0067)


(Z)-Methyl 1-propenyl disulfide is found in onion-family vegetables. (Z)-Methyl 1-propenyl disulfide is a constituent of the essential oils of Allium species. Constituent of the essential oils of Allium subspecies (Z)-Methyl 1-propenyl disulfide is found in onion-family vegetables.

   

Lentialexin

oct-7-en-3,5-diyn-1-ol

C8H8O (120.0575)


Lentialexin is found in mushrooms. Lentialexin is produced by a mixed culture of Lentinus edodes (shiitake) and Trichoderma polysporum. Production by a mixed culture of Lentinus edodes (shiitake) and Trichoderma polysporum. Lentialexin is found in mushrooms.

   

2-Methyl-5-vinylpyrazine

2-Ethenyl-5-methylpyrazine, 9ci

C7H8N2 (120.0687)


Aroma constituent of raw or cooked asparagus, baked or chipped potato, wheat bread, fried chicken, pork liver, cooked beef, cocoa, roasted coffee, roasted filbert, roasted peanut, popcorn, sukiyaki and roasted sesame seed oil. 2-Methyl-5-vinylpyrazine is found in many foods, some of which are cocoa and cocoa products, animal foods, potato, and coffee and coffee products. 2-Methyl-5-vinylpyrazine is found in animal foods. Aroma constituent of raw or cooked asparagus, baked or chipped potato, wheat bread, fried chicken, pork liver, cooked beef, cocoa, roasted coffee, roasted filbert, roasted peanut, popcorn, sukiyaki and roasted sesame seed oil.

   

2,4-Dihydroxybutanoic acid

2,4-Dihydroxy-butyric acid

C4H8O4 (120.0423)


2,4-Dihydroxybutanoic acid or 3-Deoxytetronic acid is usually absent in normal human urine extracts or in only trace constituents in neonates. (PMID 1192581) However, various cases of succinic semialdehyde dehydrogenase deficiency have shown consistently increased amounts of this metabolite. (PMID 3126356) [HMDB] 2,4-Dihydroxybutanoic acid or 3-Deoxytetronic acid is usually absent in normal human urine extracts or in only trace constituents in neonates. (PMID 1192581) However, various cases of succinic semialdehyde dehydrogenase deficiency have shown consistently increased amounts of this metabolite. (PMID 3126356).

   

4-Deoxyerythronic acid

(+/-)-erythro-2,3-dihydroxybutyric acid

C4H8O4 (120.0423)


4-Deoxyerythronic acid is a normal organic acid present in human biofluids (PMIDs 2338430, 3829393, 3525594, 14708889, 1560100, 6725493), derived presumably from L-threonine. (PMID 2947647) It has been associated with uremia (PMID 1149237) and diabetes mellitus type 1. (PMID 2947647) [HMDB] 4-Deoxyerythronic acid is a normal organic acid present in human biofluids (PMIDs 2338430, 3829393, 3525594, 14708889, 1560100, 6725493), derived presumably from L-threonine. (PMID 2947647) It has been associated with uremia (PMID 1149237) and diabetes mellitus type 1. (PMID 2947647).

   

4-Deoxythreonic acid

(2R,3S)-Rel-2,3-dihydroxy--butanoic acid

C4H8O4 (120.0423)


4-Deoxythreonic acid is a normally occurring carboxylic acid in human. (PMID: 3829393, 6725493). Metabolic profiling of urinary organic acids from patients with juvenile-onset (Type 1) diabetes mellitus have revealed significantly elevated levels of 4-deoxythreonic acid. (PMID: 2947647). The normal urinary constituent 4-deoxythreonic acid was found to diminish in urine incubated with E. coli. (PMID: 3910670). 4-Deoxythreonic acid is a normally occurring carboxylic acid in human. (PMID: 3829393, 6725493)

   

A,b-Dihydroxyisobutyric acid

2,3-dihydroxy-2-methyl-propanoic acid

C4H8O4 (120.0423)


2-methylglyceric acid or a,b-Dihydroxyisobutyric acid has been found not to be a normal metabolite but is a degradation product of thymine glycol in vivo. (PMID:3707888) [HMDB] 2-methylglyceric acid or a,b-Dihydroxyisobutyric acid has been found not to be a normal metabolite but is a degradation product of thymine glycol in vivo. (PMID:3707888).

   

3-Mercapto-2-methyl-1-butanol

Racemic gossypol, acetate salt

C5H12OS (120.0609)


3-Mercapto-2-methyl-1-butanol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") D009676 - Noxae > D000988 - Antispermatogenic Agents > D013089 - Spermatocidal Agents D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D000970 - Antineoplastic Agents

   

Ethyl vinyl disulfide

Ethenyl ethyl disulfide, 9ci

C4H8S2 (120.0067)


Ethyl vinyl disulfide is found in fruits. Ethyl vinyl disulfide is a constituent of the fruit of Durio zibethinus (durian). Constituent of the fruit of Durio zibethinus (durian). Ethyl vinyl disulfide is found in fruits.

   

Methyl 2-(methylthio)acetate

Acetic acid, (methylthio)-, methyl ester

C4H8O2S (120.0245)


Methyl 2-(methylthio)acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive

   

2-Methyl-1,3-dithiolane

Acetaldehdye ethylene thioacetal

C4H8S2 (120.0067)


2-Methyl-1,3-dithiolane is found in animal foods. 2-Methyl-1,3-dithiolane is a maillard product from cysteine and glucose degradation. 2-Methyl-1,3-dithiolane is a flavouring ingredient; present in boiled beef volatile Maillard product from cysteine and glucose degradation. Flavouring ingredient; present in boiled beef volatiles. 2-Methyl-1,3-dithiolane is found in animal foods.

   

(1-Methylethenyl)pyrazine

2-(alpha-Methylvinyl)pyrazine

C7H8N2 (120.0687)


(1-Methylethenyl)pyrazine is found in animal foods. (1-Methylethenyl)pyrazine is a flavouring ingredient. (1-Methylethenyl)pyrazine is present in roasted sesame seed, roasted coffee beans, roasted peanut, Oolong tea, cooked beef, fried chicken, roasted cocoa beans, tortilla chips and fermented soybeans. (1-Methylethenyl)pyrazine is a maillard product. (1-Methylethenyl)pyrazine is a Maillard product and can be used as flavouring ingredient. It is found in roasted sesame seed, roasted coffee beans, roasted peanut, oolong tea, cooked beef, fried chicken, roasted cocoa beans, tortilla chips and fermented soybeans.

   

1-Propenylpyrazine

2-[(1E)-prop-1-en-1-yl]pyrazine

C7H8N2 (120.0687)


Maillard product. Volatile constituent of yeast extract, roasted peanut, roasted coconut, roasted sesame, coffee, bread aroma, cocoa and extrusion cooked wheat or maize flour. 1-Propenylpyrazine is found in many foods, some of which are mushrooms, cocoa and cocoa products, cereals and cereal products, and coffee and coffee products. 1-Propenylpyrazine is found in cereals and cereal products. 1-Propenylpyrazine is a maillard product. 1-Propenylpyrazine is a volatile constituent of yeast extract, roasted peanut, roasted coconut, roasted sesame, coffee, bread aroma, cocoa and extrusion cooked wheat or maize flour.

   

xi-Tetrahydro-2-thiophenethiol

xi-Tetrahydro-2-thiophenethiol

C4H8S2 (120.0067)


xi-Tetrahydro-2-thiophenethiol is a component of meat aroma model systems. Component of meat aroma model systems

   

4-(Methylthio)-2-butanol

4-(Methylsulphanyl)butan-2-ol

C5H12OS (120.0609)


4-(Methylthio)-2-butanol is found in alcoholic beverages. 4-(Methylthio)-2-butanol is formed during fermentation of white wines. Formed during fermentation of white wines. 4-(Methylthio)-2-butanol is found in alcoholic beverages.

   

4-(Methylthio)-1-butanol

4-(methylthio)-1-Butanol, polymer-bound

C5H12OS (120.0609)


4-(Methylthio)-1-butanol is found in coffee and coffee products. 4-(Methylthio)-1-butanol is present in coffee. 4-(Methylthio)-1-butanol is a flavouring ingredient. Present in coffee. Flavouring ingredient. 4-(Methylthio)-1-butanol is found in coffee and coffee products.

   

Allyl methyl sulfone

3-Methanesulphonylprop-1-ene

C4H8O2S (120.0245)


Allyl methyl sulfone (AMSO2) is an odourless garlic-derived metabolite found in human breast milk and urine. It is likely the oxidation product of allyl methyl sulfide (AMS) otherwise known as 3-(methylthio)-1-propene.

   

(2-Hydroxyethoxy)acetic acid

2-(2-hydroxyethoxy)acetic acid

C4H8O4 (120.0423)


   

1,3,4-Pentanetriol

pentane-1,3,4-triol

C5H12O3 (120.0786)


   

1,4-Diamino-2-chloro-2-butene

1,4-Diamino-2-chloro-2-butene

C4H9ClN2 (120.0454)


   

1H-Pyrazolo[4,3-d]pyrimidine

1H-Pyrazolo[4,3-d]pyrimidine

C5H4N4 (120.0436)


   

2-(2-Methoxyethoxy)ethanol

Diethylene glycol monomethyl ether

C5H12O3 (120.0786)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

2,3-Dihydroxybutanoic acid

2,3-Dihydroxybutanoic acid

C4H8O4 (120.0423)


   

4-Mercaptobutyric acid

4-Mercaptobutyrate, magnesium salt (2:1)

C4H8O2S (120.0245)


   

5-Aminopyrimidine-2-carbonitrile

5-Aminopyrimidine-2-carbonitrile

C5H4N4 (120.0436)


   

Benzofurazan

2,1,3-benzoxadiazole

C6H4N2O (120.0324)


   

D-Erythrose

Erythrose, (S-(r*,s*))-isomer

C4H8O4 (120.0423)


   

1,3-Dihydroxypropan-2-yl formate

1,3-Dihydroxypropan-2-yl formate

C4H8O4 (120.0423)


   

Noxytiolin

N-Methyl-n-(hydroxymethyl)thiourea

C3H8N2OS (120.0357)


B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions > B05CA - Antiinfectives C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents

   

Oxazolo[5,4-B]pyridine

[1,3]oxazolo[5,4-b]pyridine

C6H4N2O (120.0324)


   

Pentafluoroethane

1,1,1,2,2-Pentafluoroethane

C2HF5 (119.9998)


   

pyrazolopyridazine

1H-pyrazolo[4,3-c]pyridazine

C5H4N4 (120.0436)


   

Sulfobetaine

2-(dimethylsulfaniumyl)acetate

C4H8O2S (120.0245)


   

Sulfolane

2,3,4,5-Tetrahydrothiophene-1,1-dioxide

C4H8O2S (120.0245)


   

Trimethyl orthoacetate

Trimethyl orthoacetic acid

C5H12O3 (120.0786)


   

Methyl-trans-propenyl disulfide

(1E)-1-(Methyldisulphanyl)prop-1-ene

C4H8S2 (120.0067)


Methyl-trans-propenyl disulfide is a member of the class of compounds known as organic disulfides. Organic disulfides are organosulfur compounds with the general formula RSSR (R,R = alkyl, aryl). Methyl-trans-propenyl disulfide can be found in garden onion and soft-necked garlic, which makes methyl-trans-propenyl disulfide a potential biomarker for the consumption of these food products.

   

trans-3-Methylsulfinyl-2-propenol

(+)-trans-3-Methylsulfinyl-2-propenol

C4H8O2S (120.0245)


   

Methyl-trans-propenyl disulfide

(1E)-1-(Methyldisulphanyl)prop-1-ene

C4H8S2 (120.0067)


Methyl-trans-propenyl disulfide is a member of the class of compounds known as organic disulfides. Organic disulfides are organosulfur compounds with the general formula RSSR (R,R = alkyl, aryl). Methyl-trans-propenyl disulfide can be found in garden onion and soft-necked garlic, which makes methyl-trans-propenyl disulfide a potential biomarker for the consumption of these food products.

   

1,4-Dioxane-2,5-diol

Glycolaldehyde dimer,mixture of stereoisomers

C4H8O4 (120.0423)


1,4-Dioxane-2,5-diol is an endogenous metabolite.

   

2-Ethenyl-6-methylpyrazine

2-Ethenyl-6-methylpyrazine

C7H8N2 (120.0687)


   

Sulfobetaine

Sulfobetaine

C4H8O2S (120.0245)


   

Trimethylarsine

Trimethylarsine

C3H9As (119.992)


   

iso-butyl methyl sulfoxide

iso-butyl methyl sulfoxide

C5H12OS (120.0609)


   

METHYL 2-CHLOROACRYLATE

METHYL 2-CHLOROACRYLATE

C4H5ClO2 (119.9978)


   

methyl glycerate

methyl glycerate

C4H8O4 (120.0423)


   
   

SULFOLANE

SULFOLANE

C4H8O2S (120.0245)


D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants D020011 - Protective Agents > D011837 - Radiation-Protective Agents

   

2,3-Dimethoxypropan-1-ol

2,3-Dimethoxypropan-1-ol

C5H12O3 (120.0786)


   

1,3-dimethoxypropan-2-ol

1,3-dimethoxypropan-2-ol

C5H12O3 (120.0786)


   

2-Ethenylphenol

2-Ethenylphenol

C8H8O (120.0575)


   

3-ethoxy-propane-1-thiol

3-ethoxy-propane-1-thiol

C5H12OS (120.0609)


   

2-Methylbutanoyl chloride

2-Methylbutanoyl chloride

C5H9ClO (120.0342)


   

3-(Ethylthio)propanol

3-(Ethylthio)propanol

C5H12OS (120.0609)


   

3-aminopropyl(dimethyl)sulfanium

3-aminopropyl(dimethyl)sulfanium

C5H14NS+ (120.0847)


   

Purine

InChI=1\C5H4N4\c1-4-5(8-2-6-1)9-3-7-4\h1-3H,(H,6,7,8,9

C5H4N4 (120.0436)


Purine is an endogenous metabolite. Purine is an endogenous metabolite.

   

Benzamidine

Benzamidine hydrochloride hydrate

C7H8N2 (120.0687)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors CONFIDENCE standard compound; INTERNAL_ID 2169

   

D-Erythrose

D-(-)-Erythrose

C4H8O4 (120.0423)


The D-enantiomer of erythrose.

   

D(-)-Threose

D-(-)-threose

C4H8O4 (120.0423)


   

3-mercaptopyruvic acid

3-mercaptopyruvic acid

C3H4O3S (119.9881)


A 2-oxo monocarboxylic acid that is pyruvic acid substituted by a sulfanyl group at position 3.

   

Erythrose

Erythrose

C4H8O4 (120.0423)


   

phenylacetaldehyde

phenylacetaldehyde

C8H8O (120.0575)


An aldehyde that consists of acetaldehyde bearing a methyl substituent; the parent member of the phenylacetaldehyde class of compounds. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

4-Vinylphenol

4-Vinylphenol

C8H8O (120.0575)


   

glycolaldehyde

glycolaldehyde

C4H8O4 (120.0423)


   

2,4-Dihydroxybutanoic acid

2,4-Dihydroxybutanoic acid

C4H8O4 (120.0423)


A omega-hydroxy fatty acid that is butyric acid substituted by hydroxy groups at positions 2 and 4 respectively.

   

Mercaptopyruvate

Mercaptopyruvate

C3H4O3S (119.9881)


   

4-vinyl phenol

4-vinyl phenol

C8H8O (120.0575)


   

A,b-Dihydroxyisobutyric acid

A,b-Dihydroxyisobutyric acid

C4H8O4 (120.0423)


   

2,4-Dihydroxybutyric acid

2,4-Dihydroxybutyric acid

C4H8O4 (120.0423)


   

3S,4-dihydroxy-butyric acid

3S,4-dihydroxy-butanoic acid

C4H8O4 (120.0423)


   

4-deoxy-erythronic acid

2,3-dihydroxy-butanoic acid

C4H8O4 (120.0423)


   

4-Deoxy-threonic acid

2R,3S-dihydroxy-butanoic acid

C4H8O4 (120.0423)


   

3,4-Dihydroxybutyric acid

3,4-Dihydroxybutyric acid

C4H8O4 (120.0423)


A omega-hydroxy fatty acid that is butyric acid substituted by hydroxy groups at positions 3 and 4 respectively.

   

Glycolaldehyde dimer

1,4-Dioxane-2,5-diol, 2,5-Dihydroxy-1,4-dioxane, Hydroxyacetaldehyde dimer

C4H8O4 (120.0423)


1,4-Dioxane-2,5-diol is an endogenous metabolite.

   

2,4-dihydroxy-butanoic acid

2,4-dihydroxy-butanoic acid

C4H8O4 (120.0423)


   

a,b-dihydroxy-isobutyric acid

2,3-dihydroxy-2-methyl-propanoic acid

C4H8O4 (120.0423)


   

3-methyl-thiopropionic acid

3-(methyl-sulfanyl)-propanoic acid

C4H8O2S (120.0245)


   

Kumaran

Coumaran (2,3-dihydrobenzofuran)

C8H8O (120.0575)


Coumaran (2,3-Dihydrobenzofuran) is an acetylcholinesterase (AChE) inhibitor isolated from leaves of L. camara. Coumaran can be used as a biopesticide[1]. Coumaran (2,3-Dihydrobenzofuran) is an acetylcholinesterase (AChE) inhibitor isolated from leaves of L. camara. Coumaran can be used as a biopesticide[1].

   

m-Dithiane

1,3 Dithiocyclohexane

C4H8S2 (120.0067)


1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2]. 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2].

   

gosspyl acetate

Racemic gossypol, acetate salt

C5H12OS (120.0609)


D009676 - Noxae > D000988 - Antispermatogenic Agents > D013089 - Spermatocidal Agents D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D000970 - Antineoplastic Agents

   

Ethyl vinyl disulfide

Ethenyl ethyl disulfide, 9ci

C4H8S2 (120.0067)


   

FEMA 3854

3-Methyl-3-sulfanylbutanol-1-ol

C5H12OS (120.0609)


   

FEMA 3705

Acetaldehdye ethylene thioacetal

C4H8S2 (120.0067)


   

Isopropenylpyrazine

2-(alpha-Methylvinyl)pyrazine

C7H8N2 (120.0687)


   

2-METHYL-5-VINYLPYRAZINE

2-Ethenyl-5-methylpyrazine, 9ci

C7H8N2 (120.0687)


   

Lentialexin

oct-7-en-3,5-diyn-1-ol

C8H8O (120.0575)


   

3-methyl-2-sulfanylbutan-1-ol

xi-2-Mercapto-3-methyl-1-butanol

C5H12OS (120.0609)


   

3-Methyl-2-vinylpyrazine

2-Ethenyl-3-methylpyrazine, 9ci

C7H8N2 (120.0687)


   

1-Propenylpyrazine

2-[(1E)-prop-1-en-1-yl]pyrazine

C7H8N2 (120.0687)


   

thiolane-2-thiol

xi-Tetrahydro-2-thiophenethiol

C4H8S2 (120.0067)


   

(E)-Methyl 1-propenyl disulfide

(1Z)-1-(methyldisulfanyl)prop-1-ene

C4H8S2 (120.0067)


   

4-(Methylthio)-2-butanol

4-(methylthio)-2-Butanol, 9ci

C5H12OS (120.0609)


   

FEMA 3600

4-(methylthio)-1-Butanol, polymer-bound

C5H12OS (120.0609)


   

FA 4:0;O2

2,3-dihydroxy-2-methyl-propanoic acid

C4H8O4 (120.0423)


   

FOH 8:5

oct-7-en-3,5-diyn-1-ol

C8H8O (120.0575)


   

1H-1,2,3-TRIAZOLO[4,5-B]PYRIDINE

1H-1,2,3-TRIAZOLO[4,5-B]PYRIDINE

C5H4N4 (120.0436)


   

L-Threose

L-(+)-threose

C4H8O4 (120.0423)


   

Prop-1-ene-1,3-sultone

Prop-1-ene-1,3-sultone

C3H4O3S (119.9881)


   

4-Fluorobutyric acid methyl ester

4-Fluorobutyric acid methyl ester

C5H9FO2 (120.0587)


   

3-chlorohexane

3-chlorohexane

C6H13Cl (120.0706)


   

Dimethoxydimethylsilane

Dimethoxy(dimethyl)silane

C4H12O2Si (120.0607)


   

1,1,1-Trimethoxyethane

1,1,1-Trimethoxyethane

C5H12O3 (120.0786)


   

2-chloro-2-methylpentane

2-chloro-2-methylpentane

C6H13Cl (120.0706)


   

3,5-dimethyl-1H-pyrrole-2-carbonitrile

3,5-dimethyl-1H-pyrrole-2-carbonitrile

C7H8N2 (120.0687)


   

3-ETHOXY-1,2-PROPANEDIOL

3-ETHOXY-1,2-PROPANEDIOL

C5H12O3 (120.0786)


   

6,7-Dihydro-5H-pyrrolo[3,4-b]pyridine

6,7-Dihydro-5H-pyrrolo[3,4-b]pyridine

C7H8N2 (120.0687)


   

1-(13C)-1-phenyl-1-ethanone

1-(13C)-1-phenyl-1-ethanone

C8H8O (120.0575)


   

Isopropenyl carbonochloridate

Isopropenyl carbonochloridate

C4H5ClO2 (119.9978)


   

dimethylvinylchlorosilane

dimethylvinylchlorosilane

C4H9ClSi (120.0162)


   

Methyl 3-mercaptopropionate

Methyl 3-mercaptopropionate

C4H8O2S (120.0245)


   

Captopril EP Impurity C

Captopril EP Impurity C

C4H8O2S (120.0245)


   

4-Chlorotetrahydro-2H-pyran

4-Chlorotetrahydro-2H-pyran

C5H9ClO (120.0342)


   

3,3-DIFLUOROCYCLOPENTANONE

3,3-DIFLUOROCYCLOPENTANONE

C5H6F2O (120.0387)


   

Pyrimidine, 2-cyclopropyl- (9CI)

Pyrimidine, 2-cyclopropyl- (9CI)

C7H8N2 (120.0687)


   

3-(Chloromethyl)-3-methyloxetane

3-(Chloromethyl)-3-methyloxetane

C5H9ClO (120.0342)


   

2-Fluoro-3-oxobutanoic acid

2-Fluoro-3-oxobutanoic acid

C4H5FO3 (120.0223)


   

2-(hydroxymethyl)butane-1,3-diol

2-(hydroxymethyl)butane-1,3-diol

C5H12O3 (120.0786)


   

4-HYDROXYPICOLINONITRILE

4-HYDROXYPICOLINONITRILE

C6H4N2O (120.0324)


   

2,3-dihydro-1h-benzo[d]imidazole

2,3-dihydro-1h-benzo[d]imidazole

C7H8N2 (120.0687)


   

1h-pyrazolo[3,4-d]pyrimidine

1h-pyrazolo[3,4-d]pyrimidine

C5H4N4 (120.0436)


   

5-Aminopyrazine-2-carbonitrile

5-Aminopyrazine-2-carbonitrile

C5H4N4 (120.0436)


   

1,2,4-Triazolo[4,3-b]pyridazine

1,2,4-Triazolo[4,3-b]pyridazine

C5H4N4 (120.0436)


   

3-cyanopyridine n-oxide

3-cyanopyridine n-oxide

C6H4N2O (120.0324)


   

(3-chloro cyclobutyl)methanol

(3-chloro cyclobutyl)methanol

C5H9ClO (120.0342)


   

3-Vinylphenol

3-Vinylphenol

C8H8O (120.0575)


   

Urea, 1-(hydroxymethyl)-1-methyl-2-thio- (7CI)

Urea, 1-(hydroxymethyl)-1-methyl-2-thio- (7CI)

C3H8N2OS (120.0357)


   

4-(BUT-3-YN-1-YL)-1H-IMIDAZOLE

4-(BUT-3-YN-1-YL)-1H-IMIDAZOLE

C7H8N2 (120.0687)


   

4-CHLOROMETHOXY-BUT-1-ENE

4-CHLOROMETHOXY-BUT-1-ENE

C5H9ClO (120.0342)


   

2-Amino-6-cyanopyrazine

2-Amino-6-cyanopyrazine

C5H4N4 (120.0436)


   

Methyl 2-fluoro-2-methylpropionate

Methyl 2-fluoro-2-methylpropionate

C5H9FO2 (120.0587)


   

1,1,1-tris(hydroxymethyl)ethane

1,1,1-tris(hydroxymethyl)ethane

C5H12O3 (120.0786)


   

1,2-dihydro-2-oxo-4-pyridinecarbonitrile

1,2-dihydro-2-oxo-4-pyridinecarbonitrile

C6H4N2O (120.0324)


   

4-Fluorophenylacetylene

4-Fluorophenylacetylene

C8H5F (120.0375)


   

2-Amino-1-Pyrroline Hydrochloride

2-Amino-1-Pyrroline Hydrochloride

C4H9ClN2 (120.0454)


   

2-Amino-5-pyrimidinecarbonitrile

2-Amino-5-pyrimidinecarbonitrile

C5H4N4 (120.0436)


   

1-Chlorobutane-2,3-dione

1-Chlorobutane-2,3-dione

C4H5ClO2 (119.9978)


   

Acetophenone-1,2-13C2

Acetophenone-1,2-13C2

C8H8O (120.0575)


   

5-Chloropentanal

5-Chloropentanal

C5H9ClO (120.0342)


   

2-ethyl-1-chlorobutane

2-ethyl-1-chlorobutane

C6H13Cl (120.0706)


   

Pyrrolo[1,2-a]pyrazine, 3,4-dihydro- (9CI)

Pyrrolo[1,2-a]pyrazine, 3,4-dihydro- (9CI)

C7H8N2 (120.0687)


   

2-(HYDROXYMETHYL)BUTANE-1,4-DIOL

2-(HYDROXYMETHYL)BUTANE-1,4-DIOL

C5H12O3 (120.0786)


   

6-aminopyridazine-3-carbonitrile

6-aminopyridazine-3-carbonitrile

C5H4N4 (120.0436)


   

1-chloro-1-methylsiletane

1-chloro-1-methylsiletane

C4H9ClSi (120.0162)


   

L-Erythrose

L-(+)-ERYTHROSE

C4H8O4 (120.0423)


   

Trimethylsilylmethanethiol

Trimethylsilylmethylsulfide

C4H12SSi (120.0429)


   

(3-Chloroprop-1-en-1-yl)boronic acid

(3-Chloroprop-1-en-1-yl)boronic acid

C3H6BClO2 (120.0149)


   

(S)-2,2-DIMETHYL-3-(N-BOC)-4-ETHYNYL-OXAZOLIDINE

(S)-2,2-DIMETHYL-3-(N-BOC)-4-ETHYNYL-OXAZOLIDINE

C4H8O4 (120.0423)


   

Methyl hydroxy(methoxy)acetate

Methyl hydroxy(methoxy)acetate

C4H8O4 (120.0423)


   

1-phenylethanone-2-13C

1-phenylethanone-2-13C

C8H8O (120.0575)


   

2-VINYLPYRIDIN-4-AMINE

2-VINYLPYRIDIN-4-AMINE

C7H8N2 (120.0687)


   

(E)-N-Methyl-1-(3-pyridinyl)methanimine

(E)-N-Methyl-1-(3-pyridinyl)methanimine

C7H8N2 (120.0687)


   

2-Cyano-5-hydroxypyridine

2-Cyano-5-hydroxypyridine

C6H4N2O (120.0324)


   

3-vinyl-3-picoline

3-vinyl-3-picoline

C8H10N (120.0813)


   

Vinyl chloroacetate

Vinyl chloroacetate

C4H5ClO2 (119.9978)


   

1-methyl-2-pyrroleacetonitrile

1-methyl-2-pyrroleacetonitrile

C7H8N2 (120.0687)


   

2-Chloropentan-3-one

2-Chloropentan-3-one

C5H9ClO (120.0342)


   

1-chloro-2-methylpentane

1-chloro-2-methylpentane

C6H13Cl (120.0706)


   

4,4-Difluorocyclohexane

4,4-Difluorocyclohexane

C6H10F2 (120.0751)


   

lanthionamine

lanthionamine

C4H12N2S (120.0721)


   

Ethyl vinyl sulfone

Ethyl vinyl sulfone

C4H8O2S (120.0245)


   

lithium trifluoroacetate

lithium trifluoroacetate

C2F3LiO2 (120.001)


   

(R)-(-)-2-(Methylmethoxy)-1,2-propanediol

(R)-(-)-2-(Methylmethoxy)-1,2-propanediol

C5H12O3 (120.0786)


   

3-Methylbutanoyl chloride

3-Methylbutanoyl chloride

C5H9ClO (120.0342)


   

Ethyl 2-fluoropropionate

Ethyl 2-fluoropropionate

C5H9FO2 (120.0587)


   

Aluminum Acetate Dibasic

Aluminum Acetate Dibasic

C2H5AlO4 (120.0003)


   

N-oxy-3-cyanopyridine

N-oxy-3-cyanopyridine

C6H4N2O (120.0324)


   

2,3-Dihydro-1H-pyrrolo[3,4-c]pyridine

2,3-Dihydro-1H-pyrrolo[3,4-c]pyridine

C7H8N2 (120.0687)


   

2-Amino-2-methylpropanenitrile hydrochloride

2-Amino-2-methylpropanenitrile hydrochloride

C4H9ClN2 (120.0454)


   

2-HYDROXYISONICOTINONITRILE

2-HYDROXYISONICOTINONITRILE

C6H4N2O (120.0324)


   

mercaptoisobutyric acid

mercaptoisobutyric acid

C4H8O2S (120.0245)


   

Catecholborane

Catecholborane

C6H5BO2 (120.0383)


   

lithium orthosilicate

lithium orthosilicate

Li4O4Si (120.0206)


   

2-(Propylthio)ethanol

Ethanol,2-(propylthio)-

C5H12OS (120.0609)


   

Ethylsulfanylacetat

Ethylsulfanylacetat

C4H8O2S (120.0245)


   

Dimethylolurea

Dimethylolurea

C3H8N2O3 (120.0535)


   

1H-Imidazo[4,5-b]pyrazine

1H-Imidazo[4,5-b]pyrazine

C5H4N4 (120.0436)


   

DL-2-Methylbutyryl chloride

DL-2-Methylbutyryl chloride

C5H9ClO (120.0342)


   

[(3R)-3-fluorooxolan-3-yl]Methanol

[(3R)-3-fluorooxolan-3-yl]Methanol

C5H9FO2 (120.0587)


   

[(3S)-3-fluorooxolan-3-yl]Methanol

[(3S)-3-fluorooxolan-3-yl]Methanol

C5H9FO2 (120.0587)


   

2-(Chloromethyl)-1,2-epoxybutane

2-(Chloromethyl)-1,2-epoxybutane

C5H9ClO (120.0342)


   

1,1-Cyclopropane diacetonitrile

1,1-Cyclopropane diacetonitrile

C7H8N2 (120.0687)


   

3-fluoro-1-propanol acetate

3-fluoro-1-propanol acetate

C5H9FO2 (120.0587)


   

2,3-Dihydro-1H-pyrrolo[3,2-b]pyridine

2,3-Dihydro-1H-pyrrolo[3,2-b]pyridine

C7H8N2 (120.0687)


   

5H-Cyclopenta pyrimidine,6,7-dihydro-(6CI,7CI,8CI,9CI)

5H-Cyclopenta pyrimidine,6,7-dihydro-(6CI,7CI,8CI,9CI)

C7H8N2 (120.0687)


   

Ethyl dithioacetate

Ethyl dithioacetate

C4H8S2 (120.0067)


   

1,2,5-Pentanetriol

1,2,5-Pentanetriol

C5H12O3 (120.0786)


   

Methyl alpha-chloroacrylate

Methyl alpha-chloroacrylate

C4H5ClO2 (119.9978)


   

2-chloro-2,3-dimethylbutane

2-chloro-2,3-dimethylbutane

C6H13Cl (120.0706)


   

1H-[1,2,3]TRIAZOLO[4,5-C]PYRIDINE

1H-[1,2,3]TRIAZOLO[4,5-C]PYRIDINE

C5H4N4 (120.0436)


   

Valeryl chloride

Valeryl chloride

C5H9ClO (120.0342)


   

2-Cyano-6-hydroxypyridine

2-Cyano-6-hydroxypyridine

C6H4N2O (120.0324)


   

5-Hydroxynicotinonitrile

5-Hydroxynicotinonitrile

C6H4N2O (120.0324)


   

2-fluoro-3-methylbutanoic acid

2-fluoro-3-methylbutanoic acid

C5H9FO2 (120.0587)


   

(S)-(+)-2-(Methylmethoxy)-1,2-propanediol

(S)-(+)-2-(Methylmethoxy)-1,2-propanediol

C5H12O3 (120.0786)


   

3-Fluoro-2,2-dimethylpropanoic acid

3-Fluoro-2,2-dimethylpropanoic acid

C5H9FO2 (120.0587)


   

4-chlorobutanimidamide

4-chlorobutanimidamide

C4H9ClN2 (120.0454)


   

4-Methoxy-1-butanethiol

4-Methoxy-1-butanethiol

C5H12OS (120.0609)


   

2,3-Dihydro-7-azaindole

2,3-Dihydro-7-azaindole

C7H8N2 (120.0687)


   

4-Cyanopyridinium-1-olate

4-Cyanopyridinium-1-olate

C6H4N2O (120.0324)


   

1,3-Dimethoxy-2-propanol

1,3-Dimethoxy-2-propanol

C5H12O3 (120.0786)


   

3-chloro-3-methylpentane

3-chloro-3-methylpentane

C6H13Cl (120.0706)


   

3-Oxobutanoyl chloride

3-Oxobutanoyl chloride

C4H5ClO2 (119.9978)


   

Benzofurazan

2,1,3-benzoxadiazole

C6H4N2O (120.0324)


   

2,5-dimethyl-1H-pyrrole-3-carbonitrile

2,5-dimethyl-1H-pyrrole-3-carbonitrile

C7H8N2 (120.0687)


   

2,3-dihydro-1h-indazole

2,3-dihydro-1h-indazole

C7H8N2 (120.0687)


   

1,2,4-triazol-4-amine,hydrochloride

1,2,4-triazol-4-amine,hydrochloride

C2H5ClN4 (120.0203)


   

(S)-2-FORMYL-PYRROLIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER

(S)-2-FORMYL-PYRROLIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER

C5H12O3 (120.0786)


   

5-METHYL-4,5-DIHYDRO-1H-PYRAZOLE HYDROCHLORIDE

5-METHYL-4,5-DIHYDRO-1H-PYRAZOLE HYDROCHLORIDE

C4H9ClN2 (120.0454)


   

Pyrrolo[2,1-d]-1,2,3,5-tetrazine (9CI)

Pyrrolo[2,1-d]-1,2,3,5-tetrazine (9CI)

C5H4N4 (120.0436)


   

1-Propanol, 3-(ethylthio)-

1-Propanol, 3-(ethylthio)-

C5H12OS (120.0609)


   

methylsulfanylmethyl acetate

methylsulfanylmethyl acetate

C4H8O2S (120.0245)


   

Cyclopropyl Carbamidine Hydrochloride

Cyclopropyl Carbamidine Hydrochloride

C4H9ClN2 (120.0454)


   

2-Pyrimidinecarbonitrile, 4-amino- (9CI)

2-Pyrimidinecarbonitrile, 4-amino- (9CI)

C5H4N4 (120.0436)


   

2-propan-2-ylsulfanylethanol

2-propan-2-ylsulfanylethanol

C5H12OS (120.0609)


   

tert-butyl methyl sulfoxide

tert-butyl methyl sulfoxide

C5H12OS (120.0609)


   

2-Aminobutanenitrile monohydrochloride

2-Aminobutanenitrile monohydrochloride

C4H9ClN2 (120.0454)


   

4-Isocyanatopyridine

4-Isocyanatopyridine

C6H4N2O (120.0324)


   

6-Hydroxynicotinonitrile

6-Hydroxynicotinonitrile

C6H4N2O (120.0324)


   

2-Hydroxynicotinonitrile

2-Hydroxypyridine-3-carbonitrile

C6H4N2O (120.0324)


   

2-chloro-tetrahydropyran

2-chloro-tetrahydropyran

C5H9ClO (120.0342)


   

6-ETHENYL-3-PYRIDINAMINE

6-ETHENYL-3-PYRIDINAMINE

C7H8N2 (120.0687)


   

(2-CHLOROETHOXY)CYCLOPROPANE

(2-CHLOROETHOXY)CYCLOPROPANE

C5H9ClO (120.0342)


   

3-(2-chloroethoxy)prop-1-ene

3-(2-chloroethoxy)prop-1-ene

C5H9ClO (120.0342)


   

1,1,2-Trimethoxyethane

1,1,2-Trimethoxyethane

C5H12O3 (120.0786)


   

2-methyl thiopropionic acid

2-methyl thiopropionic acid

C4H8O2S (120.0245)


   

Ethylthioacetic acid

Ethylthioacetic acid

C4H8O2S (120.0245)


   

Diethylsilanediol

Diethylsilanediol

C4H12O2Si (120.0607)


   

sodium 4-pentynoate

sodium 4-pentynoate

C5H5NaO2 (120.0187)


   

3-Pyridazinecarbonitrile,4-amino-(8CI,9CI)

3-Pyridazinecarbonitrile,4-amino-(8CI,9CI)

C5H4N4 (120.0436)


   

6-Oxo-1,6-dihydro-2-pyridinecarbonitrile

6-Oxo-1,6-dihydro-2-pyridinecarbonitrile

C6H4N2O (120.0324)


   

dideuterio (E)-2,3-dideuteriobut-2-enedioate

dideuterio (E)-2,3-dideuteriobut-2-enedioate

C4D4O4 (120.0361)


   

3-hydroxypyridin-2-carbonitril

3-hydroxypyridin-2-carbonitril

C6H4N2O (120.0324)


   

4-Aminoisoxazole hydrochloride

4-Aminoisoxazole hydrochloride

C3H5ClN2O (120.009)


   

4-Amino-5-pyrimidinecarbonitrile

4-Amino-5-pyrimidinecarbonitrile

C5H4N4 (120.0436)


   

Pyrrole-2-carbonitrile, 3,4-dimethyl- (8CI)

Pyrrole-2-carbonitrile, 3,4-dimethyl- (8CI)

C7H8N2 (120.0687)


   

UNII:R874RQ16IG

UNII:R874RQ16IG

C5H9ClO (120.0342)


   

(2S)-2-Sulfanylbutanoic acid

(2S)-2-Sulfanylbutanoic acid

C4H8O2S (120.0245)


   

Phthalane

Phthalane

C8H8O (120.0575)


   

N-(2-Cyanoethyl)pyrrole

3-(1H-Pyrrol-1-yl)propanenitrile

C7H8N2 (120.0687)


   

chlorohexane

chlorohexane

C6H13Cl (120.0706)


   

1,5-DIMETHYL-1H-PYRROLE-2-CARBONITRILE

1,5-DIMETHYL-1H-PYRROLE-2-CARBONITRILE

C7H8N2 (120.0687)


   

1,2,4-Triazolo[4,3-a]pyrazine

1,2,4-Triazolo[4,3-a]pyrazine

C5H4N4 (120.0436)


   

(1,2,4)Triazolo(1,5-a)pyrazine

(1,2,4)Triazolo(1,5-a)pyrazine

C5H4N4 (120.0436)


   

1,1-BIS(METHYLTHIO)ETHYLENE

1,1-BIS(METHYLTHIO)ETHYLENE

C4H8S2 (120.0067)


   

(S)-2-Methylbutanoyl chloride

(S)-2-Methylbutanoyl chloride

C5H9ClO (120.0342)


   

1,1-Dimethoxypropan-2-ol

1,1-Dimethoxypropan-2-ol

C5H12O3 (120.0786)


   

2-Isocyanatopyridine

2-Isocyanatopyridine

C6H4N2O (120.0324)


   

3-hydroxypyridine-4-carbonitrile

3-hydroxypyridine-4-carbonitrile

C6H4N2O (120.0324)


   

1,1-Cyclopentanedicarbonitrile

1,1-Cyclopentanedicarbonitrile

C7H8N2 (120.0687)


   

Pentafluoroethane

Pentafluoroethane

C2HF5 (119.9998)


   

Pivaloyl chloride

Pivaloyl chloride

C5H9ClO (120.0342)


   

1-CHLORO-3,3-DIMETHYLBUTANE

1-CHLORO-3,3-DIMETHYLBUTANE

C6H13Cl (120.0706)


   

(1S,2R)-(+)-TRANS-2-PHENYL-1-CYCLOHEXANOL

(1S,2R)-(+)-TRANS-2-PHENYL-1-CYCLOHEXANOL

C5H9ClO (120.0342)


   

1-Ethynyl-3-fluorobenzene

1-Ethynyl-3-fluorobenzene

C8H5F (120.0375)


   

Cyclopropane-1-carboximidamide HCl

Cyclopropane-1-carboximidamide HCl

C4H9ClN2 (120.0454)


   

ETHYLMETHYLSILOXANE, 2-PHENYLPROPYLMETHYLSILOXANE COPOLYMER

ETHYLMETHYLSILOXANE, 2-PHENYLPROPYLMETHYLSILOXANE COPOLYMER

C3H12OSi2 (120.0427)


   

3-azidopyridine

3-azidopyridine

C5H4N4 (120.0436)


   

3-Aminopyrazine-2-carbonitrile

3-Aminopyrazine-2-carbonitrile

C5H4N4 (120.0436)


   

2,3-Dihydro-1H-pyrrolo[2,3-c]pyridine

2,3-Dihydro-1H-pyrrolo[2,3-c]pyridine

C7H8N2 (120.0687)


   

2-methylbutane-1,2,4-triol

2-methylbutane-1,2,4-triol

C5H12O3 (120.0786)


   

Trimethyl(methylsulfanyl)silane

Trimethyl(methylsulfanyl)silane

C4H12SSi (120.0429)


   

DIETHYLALUMINUM CHLORIDE

DIETHYLALUMINUM CHLORIDE

C4H10AlCl (120.0286)


   

2-chloro-4-methylpentane

2-chloro-4-methylpentane

C6H13Cl (120.0706)


   

4-OXO-1,4-DIHYDROPYRIDINE-3-CARBONITRILE

4-OXO-1,4-DIHYDROPYRIDINE-3-CARBONITRILE

C6H4N2O (120.0324)


   

5-Chloro-2-pentanone

5-Chloro-2-pentanone

C5H9ClO (120.0342)


   

5-CYANO-2-HYDROXYPYRIDINE

5-CYANO-2-HYDROXYPYRIDINE

C6H4N2O (120.0324)


   

1,4-Dioxane-2,3-diol

1,4-Dioxane-2,3-diol

C4H8O4 (120.0423)


   

Methyl (S)-glycerate

Methyl (S)-glycerate

C4H8O4 (120.0423)


   

(R)-Styrene oxide

(R)-Styrene oxide

C8H8O (120.0575)


The (R)-enantiomer of styrene oxide.

   

Butanoyl chloride, 2-methyl-

Butanoyl chloride, 2-methyl-

C5H9ClO (120.0342)


   

BICYCLO[4.2.0]OCTA-1,3,5,7-TETRAEN-7-OL

BICYCLO[4.2.0]OCTA-1,3,5,7-TETRAEN-7-OL

C8H8O (120.0575)


   

2-chlorohexane

2-chlorohexane

C6H13Cl (120.0706)


   

3H-Pyrazolo[3,4-d]pyrimidine (8CI,9CI)

3H-Pyrazolo[3,4-d]pyrimidine (8CI,9CI)

C5H4N4 (120.0436)


   

Oxazolo[5,4-b]pyridine

Oxazolo[5,4-b]pyridine

C6H4N2O (120.0324)


   

OXAZOLO[4,5-B]PYRIDINE

OXAZOLO[4,5-B]PYRIDINE

C6H4N2O (120.0324)


   

Allyl carbonochloridate

Allyl carbonochloridate

C4H5ClO2 (119.9978)


   

(R)-2-HYDROXYBUTYLTOSYLATE

(R)-2-HYDROXYBUTYLTOSYLATE

C5H12O3 (120.0786)


   

Benzaldehyde, hydrazone

Benzaldehyde, hydrazone

C7H8N2 (120.0687)


   

1-Ethynyl-2-fluorobenzene

1-Ethynyl-2-fluorobenzene

C8H5F (120.0375)


   

2-Amino-4-cyanopyrimidine

2-Amino-4-cyanopyrimidine

C5H4N4 (120.0436)


   

4,7-DIAZA-1H-INDAZOLE

4,7-DIAZA-1H-INDAZOLE

C5H4N4 (120.0436)


   

3-ISOCYANATOPYRIDINE

3-ISOCYANATOPYRIDINE

C6H4N2O (120.0324)


   

[1,2,4]Triazolo[1,5-a]pyrimidine

[1,2,4]Triazolo[1,5-a]pyrimidine

C5H4N4 (120.0436)


   

2-Pyridinecarbonitrile,1-oxide

2-Pyridinecarbonitrile,1-oxide

C6H4N2O (120.0324)


   

1,1-Bis(hydroxymethyl)ure

1,1-Bis(hydroxymethyl)ure

C3H8N2O3 (120.0535)


   

Cysteinamide

Cysteinamide

C3H8N2OS (120.0357)


   

3-Mercaptopentanol

3-Mercaptopentanol

C5H12OS (120.0609)


An alkanethiol that is pentane substituted at positions 1 and 3 by hydroxy and sulfanyl groups respectively.

   

3-Mercaptobutanoic acid

3-Mercaptobutanoic acid

C4H8O2S (120.0245)


   

2-Amino-N,3-dihydroxypropanamide

2-Amino-N,3-dihydroxypropanamide

C3H8N2O3 (120.0535)


   

Methyl cis-1-propenyl disulfide

Methyl cis-1-propenyl disulfide

C4H8S2 (120.0067)


   

1,3,5-Pentanetriol

1,3,5-Pentanetriol

C5H12O3 (120.0786)


   

1,2-Dithiane

1,2-Dithiane

C4H8S2 (120.0067)


   

beta-d-Erythrofuranose

beta-d-Erythrofuranose

C4H8O4 (120.0423)


   

1-Phenylethenol

1-Phenylethenol

C8H8O (120.0575)


   

2,4-Cyclohexadien-1-one, 6-carbonyl-

2,4-Cyclohexadien-1-one, 6-carbonyl-

C7H4O2 (120.0211)


   

2-Amino-3-sulfanylpropanoate

2-Amino-3-sulfanylpropanoate

C3H6NO2S- (120.0119)


   

Phenyl vinyl ether

Phenyl vinyl ether

C8H8O (120.0575)


   

Methyl 2-mercaptopropionate

Methyl 2-mercaptopropionate

C4H8O2S (120.0245)


   

2-(Trimethylammonium)ethyl thiol

2-(Trimethylammonium)ethyl thiol

C5H14NS+ (120.0847)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents

   

noxytiolin

noxytiolin

C3H8N2OS (120.0357)


B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions > B05CA - Antiinfectives C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents

   

Hyacinthin

InChI=1\C8H8O\c9-7-6-8-4-2-1-3-5-8\h1-5,7H,6H

C8H8O (120.0575)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Hypnon

InChI=1\C8H8O\c1-7(9)8-5-3-2-4-6-8\h2-6H,1H

C8H8O (120.0575)


D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D003879 - Dermatologic Agents Acetophenone is an organic compound with simple structure[1]. Acetophenone is an organic compound with simple structure[1].

   

c0201

InChI=1\C8H8O\c1-7-2-4-8(6-9)5-3-7\h2-6H,1H

C8H8O (120.0575)


p-Tolualdehyde is an endogenous metabolite. p-Tolualdehyde is an endogenous metabolite.

   

Coumaran

InChI=1\C8H8O\c1-2-4-8-7(3-1)5-6-9-8\h1-4H,5-6H

C8H8O (120.0575)


Coumaran (2,3-Dihydrobenzofuran) is an acetylcholinesterase (AChE) inhibitor isolated from leaves of L. camara. Coumaran can be used as a biopesticide[1]. Coumaran (2,3-Dihydrobenzofuran) is an acetylcholinesterase (AChE) inhibitor isolated from leaves of L. camara. Coumaran can be used as a biopesticide[1].

   

AI3-62288

InChI=1\C4H8S2\c1-2-5-4-6-3-1\h1-4H

C4H8S2 (120.0067)


1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2]. 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2].

   

3-(Methyldisulfanyl)-1-propene

3-(Methyldisulfanyl)-1-propene

C4H8S2 (120.0067)


   

5905-47-5

Disulfide, methyl 1-propenyl, trans

C4H8S2 (120.0067)


   

c0242

InChI=1\C8H8O\c1-7-3-2-4-8(5-7)6-9\h2-6H,1H

C8H8O (120.0575)


m-Tolualdehyde (3-Methylbenzaldehyde) is a tolualdehyde compound with the methyl substituent at the 3-position. m-Tolualdehyde can be used as a food additive. m-Tolualdehyde (3-Methylbenzaldehyde) is a tolualdehyde compound with the methyl substituent at the 3-position. m-Tolualdehyde can be used as a food additive.

   

LS-2404

InChI=1\C8H8O\c1-7-4-2-3-5-8(7)6-9\h2-6H,1H

C8H8O (120.0575)


   

(S)-3,4-Dihydroxybutyric acid

(S)-3,4-Dihydroxybutyric acid

C4H8O4 (120.0423)


   

3-Mercapto-2-methyl-1-butanol

3-Mercapto-2-methyl-1-butanol

C5H12OS (120.0609)


   

S-acetylcysteaminium

S-acetylcysteaminium

C4H10NOS+ (120.0483)


   

Allyl methyl sulfone

Allyl methyl sulfone

C4H8O2S (120.0245)


   

1,4-Diamino-2-chloro-2-butene

1,4-Diamino-2-chloro-2-butene

C4H9ClN2 (120.0454)


   

Aminooxydiketone

Aminooxydiketone

C2H4N2O4 (120.0171)


   

Dimethyldithiocarbamate

Dimethyldithiocarbamate

C3H6NS2- (119.9942)


   

L-threoninium

L-threoninium

C4H10NO3+ (120.0661)


The L-enantiomer of threoninium.

   

Cysteine thiyl radical

Cysteine thiyl radical

C3H6NO2S (120.0119)


   

D-threoninium

D-threoninium

C4H10NO3+ (120.0661)


The D-enantiomer of threoninium.

   

L-cystein-S-yl

L-cystein-S-yl

C3H6NO2S (120.0119)


   

(2R)-2-Amino-3-sulfanylpropanoate

(2R)-2-Amino-3-sulfanylpropanoate

C3H6NO2S- (120.0119)


   

D-cystein-S-yl

D-cystein-S-yl

C3H6NO2S (120.0119)


   

(2S)-2-Amino-3-mercaptopropanoate

(2S)-2-Amino-3-mercaptopropanoate

C3H6NO2S- (120.0119)


   

Methylphenylsilane

Methylphenylsilane

C7H8Si (120.0395)


D001697 - Biomedical and Dental Materials

   

Acetophenone-alpha,alpha,alpha-d3

Acetophenone-alpha,alpha,alpha-d3

C8H8O (120.0575)


   

(2S)-oxolane-2,3,4-triol

(2S)-oxolane-2,3,4-triol

C4H8O4 (120.0423)


   

p-Tolualdehyde

4-Methylbenzaldehyde

C8H8O (120.0575)


A tolualdehyde compound with the methyl substituent at the 4-position. p-Tolualdehyde is an endogenous metabolite. p-Tolualdehyde is an endogenous metabolite.

   

Styrene oxide

Styrene oxide

C8H8O (120.0575)


An epoxide that is oxirane in which one of the hydrogens has been replaced by a phenyl group. D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens

   

1,4-DITHIANE

1,4-DITHIANE

C4H8S2 (120.0067)


   

3-(Methylthio)propionic acid

3-(Methylthio)propionic acid

C4H8O2S (120.0245)


A thia fatty acid acid consisting of propionic acid with a methylthio substituent at the 3-position; an intermediate in mammalian methionine metabolism in vitro. The simplest known phytotoxin, it is a blight-inducing toxin produced by the cassava pathogen Xanthomonas campestris manihotis. 3-(Methylthio)propionic acid is an intermediate in the methionine metabolism.

   

2-Methylbenzaldehyde

2-Methylbenzaldehyde

C8H8O (120.0575)


   

Methyl allyl disulfide

ALLYL METHYL DISULFIDE

C4H8S2 (120.0067)


An organic disulfide having allyl and methyl as the two organic groups.

   

Tartronic acid

Hydroxymalonic acid

C3H4O5 (120.0059)


A dicarboxylic acid that is malonic acid substituted by a hydroxy group at position 2.

   

L-Erythrulose

L-(+)-Erythrulose

C4H8O4 (120.0423)


   

(3R,4R)-oxolane-2,3,4-triol

(3R,4R)-oxolane-2,3,4-triol

C4H8O4 (120.0423)


   

Erythrulose

1,3,4-Trihydroxy-2-butanone

C4H8O4 (120.0423)


Erythrulose. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=40031-31-0 (retrieved 2024-08-19) (CAS RN: 40031-31-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

(3S,4R)-oxolane-2,3,4-triol

(3S,4R)-oxolane-2,3,4-triol

C4H8O4 (120.0423)


   

3-MERCAPTO-3-METHYLBUTANOL

3-Mercapto-3-methyl-1-butanol

C5H12OS (120.0609)


   

3,4-Dihydroxybutanoic acid

3,4-Dihydroxybutanoic acid

C4H8O4 (120.0423)


   

Methyl-PEG2-alcohol

2-(2-Methoxyethoxy)ethanol

C5H12O3 (120.0786)


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1,3-Dithiane

1,3-Dithiane

C4H8S2 (120.0067)


1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2]. 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2].

   

Methyl (methylthio)acetate

Methyl 2-(methylthio)acetate

C4H8O2S (120.0245)


   

4-(methylthio)butanol

4-(methylthio)butanol

C5H12OS (120.0609)


   

2,3-Dihydroxy-2-methylpropanoic acid

2,3-Dihydroxy-2-methylpropanoic acid

C4H8O4 (120.0423)


   

4-Deoxythreonic acid

4-Deoxythreonic acid

C4H8O4 (120.0423)


The (2S,3R)-stereoisomer of 2,3-dihydroxybutanoic acid.

   

(2R,3R)-2,3-dihydroxybutanoic acid

(2R,3R)-2,3-dihydroxybutanoic acid

C4H8O4 (120.0423)


   

oct-7-en-3,5-diyn-1-ol

oct-7-en-3,5-diyn-1-ol

C8H8O (120.0575)


   

2,3-Dihydroxybutanoic acid

2,3-Dihydroxybutanoic acid

C4H8O4 (120.0423)


A hydroxybutyric acid substituted by hydroxy groups at positions 2 and 3 respectively.

   

2-Methyl-3-vinylpyrazine

2-Methyl-3-vinylpyrazine

C7H8N2 (120.0687)


   

4-(methylsulfanyl)butan-2-ol

4-(methylsulfanyl)butan-2-ol

C5H12OS (120.0609)


   

1H-Pyrazolo[4,3-d]pyrimidine

1H-Pyrazolo[4,3-d]pyrimidine

C5H4N4 (120.0436)


   

oxolane-2,3,4-triol

oxolane-2,3,4-triol

C4H8O4 (120.0423)


   

L-cysteinyl radical

L-cysteinyl radical

C3H6NO2S (120.0119)


A cysteinyl radical derived from L-cysteine.

   

D-cysteinyl radical

D-cysteinyl radical

C3H6NO2S (120.0119)


A cysteinyl radical derived from D-cysteine.

   

cysteinate(1-)

cysteinate(1-)

C3H6NO2S (120.0119)


A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group.

   

3-Methyl-3-sulfanylbutan-1-ol

3-Methyl-3-sulfanylbutan-1-ol

C5H12OS (120.0609)


An alkanethiol that is butane substituted at position 1 by a hydroxy group and at position 3 by methyl and sulfanyl groups. A volatile organic compound found in coffee, passion fruit juice, beer and domestic cat urine.

   

2-methyl-3-sulfanylbutan-1-ol

2-methyl-3-sulfanylbutan-1-ol

C5H12OS (120.0609)


An alkanethiol that is butan-1-ol substituted at positions 2 and 3 by methyl and sulfanyl groups respectively.

   

4-hydroxystyrene

4-hydroxystyrene

C8H8O (120.0575)


A member of the class of phenols that is styrene carrying a hydroxy substituent at position 4.

   

1H-Purine

1H-Purine

C5H4N4 (120.0436)


The 1H-tautomer of purine.

   

3H-purine

3H-purine

C5H4N4 (120.0436)


The 3H-tautomer of purine.

   

9H-Purine

9H-Purine

C5H4N4 (120.0436)


The 9H-tautomer of purine.

   

O-Tolualdehyde

O-Tolualdehyde

C8H8O (120.0575)


A tolualdehyde compound with the methyl substituent at the 2-position.

   

7H-Purine

7H-Purine

C5H4N4 (120.0436)


The 7H-tautomer of purine.

   

L-cysteinate(1-)

L-cysteinate(1-)

C3H6NO2S (120.0119)


The L-enantiomer of cysteinate(1-).

   

D-cysteinate(1-)

D-cysteinate(1-)

C3H6NO2S (120.0119)


The D-enantiomer of cysteinate(1-).

   

Trimethylarsane

Trimethylarsane

C3H9As (119.992)


   

Methylbenzaldehyde

Methylbenzaldehyde

C8H8O (120.0575)


   

Deoxy-erythronic acid

Deoxy-erythronic acid

C4H8O4 (120.0423)


   

Deoxy-threonic acid

Deoxy-threonic acid

C4H8O4 (120.0423)


   

2,3-Dihydroxyisobutyric acid

2,3-Dihydroxyisobutyric acid

C4H8O4 (120.0423)


   

Dihydroxybutyric acid

Dihydroxybutyric acid

C4H8O4 (120.0423)


   

Dihydroxyisobutyric acid

Dihydroxyisobutyric acid

C4H8O4 (120.0423)


   

Methylthiopropionic acid

Methylthiopropionic acid

C4H8O2S (120.0245)


   

(Dimethylsulfonio)acetate

(Dimethylsulfonio)acetate

C4H8O2S (120.0245)


   

Hydroxystyrene

Hydroxystyrene

C8H8O (120.0575)


   

Dithiane

Dithiane

C4H8S2 (120.0067)


   

Methylthiobutanol

Methylthiobutanol

C5H12OS (120.0609)


   

methyl 2,3-dihydroxypropanoate

methyl 2,3-dihydroxypropanoate

C4H8O4 (120.0423)


   

methyl (2s)-2,3-dihydroxypropanoate

methyl (2s)-2,3-dihydroxypropanoate

C4H8O4 (120.0423)


   

(2r)-4-(methylsulfanyl)butan-2-ol

(2r)-4-(methylsulfanyl)butan-2-ol

C5H12OS (120.0609)


   

(z)-(hydroxyimino)(1-hydroxypropan-2-yl)oxidoazanium

(z)-(hydroxyimino)(1-hydroxypropan-2-yl)oxidoazanium

C3H8N2O3 (120.0535)


   

(3S), 4-dihydroxybutyric acid

(3s),4-dihydroxybutyricacid

C4H8O4 (120.0423)


{"Ingredient_id": "HBIN009633","Ingredient_name": "(3S), 4-dihydroxybutyric acid","Alias": "(3s),4-dihydroxybutyricacid","Ingredient_formula": "C4H8O4","Ingredient_Smile": "C(C(CO)O)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42785;5782","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

1-(methyldisulfanyl)prop-1-ene

1-(methyldisulfanyl)prop-1-ene

C4H8S2 (120.0067)


   

methyl (2r)-2,3-dihydroxypropanoate

methyl (2r)-2,3-dihydroxypropanoate

C4H8O4 (120.0423)


   

(2e)-3-[(s)-methanesulfinyl]prop-2-en-1-ol

(2e)-3-[(s)-methanesulfinyl]prop-2-en-1-ol

C4H8O2S (120.0245)


   

2-[hydroxy(nitroso)amino]propan-1-ol

2-[hydroxy(nitroso)amino]propan-1-ol

C3H8N2O3 (120.0535)


   

4-(λ⁵-diazynylidene)cyclohexa-2,5-dien-1-one

4-(λ⁵-diazynylidene)cyclohexa-2,5-dien-1-one

C6H4N2O (120.0324)


   

3-methanesulfinylprop-2-en-1-ol

3-methanesulfinylprop-2-en-1-ol

C4H8O2S (120.0245)


   

(nitroamino)acetic acid

(nitroamino)acetic acid

C2H4N2O4 (120.0171)